# generated using pymatgen data_Zr3Ge6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.25959400 _cell_length_b 10.25959400 _cell_length_c 5.13168600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ge6N11 _chemical_formula_sum 'Zr6 Ge12 N22' _cell_volume 540.15751733 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.31963000 0.81963000 0.94378200 1.0 Zr Zr1 1 0.68037000 0.18037000 0.94378200 1.0 Zr Zr2 1 0.18037000 0.31963000 0.94378200 1.0 Zr Zr3 1 0.81963000 0.68037000 0.94378200 1.0 Zr Zr4 1 0.50000000 0.50000000 0.00710200 1.0 Zr Zr5 1 0.00000000 0.00000000 0.00710200 1.0 Ge Ge6 1 0.40826500 0.31269100 0.52630200 1.0 Ge Ge7 1 0.59173500 0.68730900 0.52630200 1.0 Ge Ge8 1 0.09173500 0.81269100 0.52630200 1.0 Ge Ge9 1 0.90826500 0.18730900 0.52630200 1.0 Ge Ge10 1 0.31269100 0.59173500 0.52630200 1.0 Ge Ge11 1 0.68730900 0.40826500 0.52630200 1.0 Ge Ge12 1 0.81269100 0.90826500 0.52630200 1.0 Ge Ge13 1 0.18730900 0.09173500 0.52630200 1.0 Ge Ge14 1 0.87229300 0.37229300 0.03582300 1.0 Ge Ge15 1 0.12770700 0.62770700 0.03582300 1.0 Ge Ge16 1 0.62770700 0.87229300 0.03582300 1.0 Ge Ge17 1 0.37229300 0.12770700 0.03582300 1.0 N N18 1 0.30623400 0.43501600 0.69922000 1.0 N N19 1 0.69376600 0.56498400 0.69922000 1.0 N N20 1 0.19376600 0.93501600 0.69922000 1.0 N N21 1 0.80623400 0.06498400 0.69922000 1.0 N N22 1 0.43501600 0.69376600 0.69922000 1.0 N N23 1 0.56498400 0.30623400 0.69922000 1.0 N N24 1 0.93501600 0.80623400 0.69922000 1.0 N N25 1 0.06498400 0.19376600 0.69922000 1.0 N N26 1 0.39247000 0.30305100 0.16788800 1.0 N N27 1 0.60753000 0.69694900 0.16788800 1.0 N N28 1 0.10753000 0.80305100 0.16788800 1.0 N N29 1 0.89247000 0.19694900 0.16788800 1.0 N N30 1 0.30305100 0.60753000 0.16788800 1.0 N N31 1 0.69694900 0.39247000 0.16788800 1.0 N N32 1 0.80305100 0.89247000 0.16788800 1.0 N N33 1 0.19694900 0.10753000 0.16788800 1.0 N N34 1 0.82284400 0.32284400 0.70090200 1.0 N N35 1 0.17715600 0.67715600 0.70090200 1.0 N N36 1 0.67715600 0.82284400 0.70090200 1.0 N N37 1 0.32284400 0.17715600 0.70090200 1.0 N N38 1 0.50000000 0.00000000 0.02678100 1.0 N N39 1 0.00000000 0.50000000 0.02678100 1.0